2-(3,4-dihydro-2H-chromen-4-ylamino)cyclohexane-1-carbonitrile

C16H20N2O — CID 62743006

IUPAC2-(3,4-dihydro-2H-chromen-4-ylamino)cyclohexane-1-carbonitrile
SMILESN#CC1CCCCC1NC1CCOc2ccccc21
InChIInChI=1S/C16H20N2O/c17-11-12-5-1-3-7-14(12)18-15-9-10-19-16-8-4-2-6-13(15)16/h2,4,6,8,12,14-15,18H,1,3,5,7,9-10H2
InChIKeyVSGMOUMMXJYKAG-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.18
Rot. Bonds2

About 2-(3,4-dihydro-2H-chromen-4-ylamino)cyclohexane-1-carbonitrile

2-(3,4-dihydro-2H-chromen-4-ylamino)cyclohexane-1-carbonitrile (PubChem CID 62743006) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-chromen-4-ylamino)cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-chromen-4-ylamino)cyclohexane-1-carbonitrile
PubChem CID62743006
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name2-(3,4-dihydro-2H-chromen-4-ylamino)cyclohexane-1-carbonitrile
SMILESN#CC1CCCCC1NC1CCOc2ccccc21
InChIInChI=1S/C16H20N2O/c17-11-12-5-1-3-7-14(12)18-15-9-10-19-16-8-4-2-6-13(15)16/h2,4,6,8,12,14-15,18H,1,3,5,7,9-10H2
InChIKeyVSGMOUMMXJYKAG-UHFFFAOYSA-N
XLogP3.18
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

trans-(1R,2R)-2-(3,4-dihydro-2H-chromen-4-ylamino)cyclohexan-1-ol
CID 104926539
2-[(9-methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)amino]cyclopentane-1-carbonitrile
CID 62963660
N-(2,6-dimethylcyclohexyl)-3,4-dihydro-2H-chromen-4-amine
CID 43223515
2-(3,4-dihydro-2H-chromen-4-ylamino)acetonitrile
CID 62367299
(4S)-3,4-dihydro-2H-chromene-4-carbonitrile
CID 51669858
N-(2-methylthiolan-3-yl)-3,4-dihydro-2H-chromen-4-amine
CID 102671261
N-(2,3-dihydro-1H-inden-2-yl)-3,4-dihydro-2H-chromen-4-amine
CID 43723878
(4R)-N-iodo-3,4-dihydro-2H-chromen-4-amine
CID 163411426
N-(oxepan-4-yl)-3,4-dihydro-2H-chromen-4-amine
CID 65081994
1-N-(3,4-dihydro-2H-chromen-4-yl)cyclobutane-1,3-diamine
CID 80560661
N-cyclohex-2-en-1-yl-3,4-dihydro-2H-chromen-4-amine
CID 103903513
1-(3,4-dihydro-2H-chromen-4-yl)-3-(2-hydroxycyclohexyl)urea
CID 110933160

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-2H-chromen-4-ylamino)cyclohexane-1-carbonitrile?
The IUPAC name of 2-(3,4-dihydro-2H-chromen-4-ylamino)cyclohexane-1-carbonitrile (CID 62743006) is 2-(3,4-dihydro-2H-chromen-4-ylamino)cyclohexane-1-carbonitrile.
What is the SMILES notation for 2-(3,4-dihydro-2H-chromen-4-ylamino)cyclohexane-1-carbonitrile?
The canonical SMILES for 2-(3,4-dihydro-2H-chromen-4-ylamino)cyclohexane-1-carbonitrile is N#CC1CCCCC1NC1CCOc2ccccc21.
What is the InChIKey of 2-(3,4-dihydro-2H-chromen-4-ylamino)cyclohexane-1-carbonitrile?
The InChIKey is VSGMOUMMXJYKAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c17-11-12-5-1-3-7-14(12)18-15-9-10-19-16-8-4-2-6-13(15)16/h2,4,6,8,12,14-15,18H,1,3,5,7,9-10H2.
What are the key properties of 2-(3,4-dihydro-2H-chromen-4-ylamino)cyclohexane-1-carbonitrile?
2-(3,4-dihydro-2H-chromen-4-ylamino)cyclohexane-1-carbonitrile has a molecular weight of 256.35 g/mol, XLogP of 3.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-2H-chromen-4-ylamino)cyclohexane-1-carbonitrile is sourced from PubChem (CID 62743006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).